1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol

C40H24I4O4 — CID 171920783

IUPAC1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
SMILESOc1c(I)cc2ccccc2c1-c1c(O)c(I)cc2ccccc12.Oc1c(I)cc2ccccc2c1-c1c(O)c(I)cc2ccccc12
InChIInChI=1S/2C20H12I2O2/c2*21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h2*1-10,23-24H
InChIKeyARNORJZJWGUBFM-UHFFFAOYSA-N
MW1076.24 g/mol
LogP12.56
Rot. Bonds2

About 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol

1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol (PubChem CID 171920783) has the molecular formula C40H24I4O4 and a molecular weight of 1076.24 g/mol. Its IUPAC name is 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
PubChem CID171920783
Molecular FormulaC40H24I4O4
Molecular Weight1076.24 g/mol
Exact Mass1075.79
IUPAC Name1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
SMILESOc1c(I)cc2ccccc2c1-c1c(O)c(I)cc2ccccc12.Oc1c(I)cc2ccccc2c1-c1c(O)c(I)cc2ccccc12
InChIInChI=1S/2C20H12I2O2/c2*21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h2*1-10,23-24H
InChIKeyARNORJZJWGUBFM-UHFFFAOYSA-N
XLogP12.56
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.24
LogP ≤ 512.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-diiodonaphthalen-1-yl)-2,3-diiodonaphthalene
CID 102479738
1-(3,4-dihydroisoquinolin-1-yl)-3-iodonaphthalen-2-ol
CID 135879577
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 23311022
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
2-[[1-[2-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4,6-diiodophenol
CID 136912130
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
1-[2-hydroxy-3-(2-phenylethynyl)naphthalen-1-yl]-3-(2-phenylethynyl)naphthalen-2-ol
CID 12036498
1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
CID 58780214
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
12,19,40,47-tetrazaundecacyclo[47.7.1.12,10.121,29.130,38.03,8.013,18.023,28.031,36.041,46.051,56]hexaconta-1(57),2(60),3,5,7,9,13,15,17,21,23,25,27,29(59),30(58),31,33,35,37,41,43,45,49,51,53,55-hexacosaene-57,58,59,60-tetrol
CID 132570937
2-[di(anthracen-1-yl)methyl]-4,6-diiodophenol
CID 159717238

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol (CID 171920783) is 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol is Oc1c(I)cc2ccccc2c1-c1c(O)c(I)cc2ccccc12.Oc1c(I)cc2ccccc2c1-c1c(O)c(I)cc2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol?
The InChIKey is ARNORJZJWGUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12I2O2/c2*21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h2*1-10,23-24H.
What are the key properties of 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol?
1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol has a molecular weight of 1076.24 g/mol, XLogP of 12.56, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol is sourced from PubChem (CID 171920783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).